Sürdürülebilir Kalkınma Amaçları
Yayınlar
- MakaleYalnız künye2026Nicotinamide complexes of metal(II) furan-2-carboxylates: synthesis, determination of crystal structures, Hirshfeld surface analysis, and in vitro and in silico evaluation of inhibitory properties on CA I, CA II, AChE, BChE, and GR enzymes
Nar, Merve; Senturk, Murat; Kaya, Afşin Ahmet; Öztürkkan, Füreya Elif; Kaya, Elif Çelenk; Şahin, Ertan
In this study, nicotinamide complexes of Cu2⁺, Co2⁺, and Zn2⁺ furan-2-carboxylates were synthesized, and the crystal structures of the complexes were characterized by single crystal X-ray diffraction. The chemical composition and functional groups of the complexes were confirmed using elemental analysis, Fourier transform infrared spectroscopy (FT-IR), ultraviolet–visible region (UV–Vis) spectroscopy, and mass spectrometry (MS). Hirshfeld surface analysis detailed the intermolecular interactions present in the crystal structures of the complexes. The complexes feature a central six-coordinate ion (Cu2⁺, Co2⁺, or Zn2⁺) located on an inversion center, which is bonded to two N atoms from nicotinamide and four O atoms from water molecules. There is a furan 2-carboxylate anion that is not coordinated with metal atoms but links to complex structures via hydrogen bonds. Within the scope of biochemical studies, the inhibitory effects of the synthesized complexes on acetylcholinesterase (AChE), butyrylcholinesterase (BChE), carbonic anhydrase I and II (hCA I, hCA II), and glutathione reductase (GR) enzymes were investigated by spectrophotometric methods. It was determined that the complexes, especially Complex 2, exhibited strong enzyme inhibition properties. Molecular docking analyses revealed the binding tendencies and binding energies of the complexes to the active sites of the enzymes. Complex 2 has a high binding affinity with AChE, BChE, hCA I, hCA II, and GR enzymes, and these bindings were supported by hydrogen bonds and π-π interactions. ADMET predictions showed that the complexes have toxicologically safe profiles despite their pharmacokinetic limitations, such as low gastrointestinal absorption and inability to cross the blood–brain barrier. It was determined that the risks of hepatotoxicity, carcinogenicity, immunotoxicity, and mutagenicity were low. As a result, these metal complexes are evaluated as potential therapeutic agents in the treatment of diseases such as Alzheimer’s disease, glaucoma, epilepsy, malaria, and cancer. The data obtained in this study emphasize the biological activities and pharmacological potential of the complexes, and it is recommended that they be supported by future in vivo studies.
- MakaleAçık Erişim2023Okul ve Yurtlar Tarafından Hastane Öncesi Acil Sağlık Hizmetlerine Yapılan Acil Başvuruların Değerlendirilmesi
Ulutaşdemir, Nilgün; Akbulut, Meryem; Kaya, Afşin Ahmet; Kıymış, İbrahim; Ayker, Bereket Bülent; Çavuş, Kadir
Bu çalışmanın amacı hastane öncesi acil sağlık hizmetlerine okul ve yurtlar tarafından yapılan acil başvuruların değerlendirilmesidir. Materyal ve Metot: Bu çalışma retrospektif, tanımlayıcı ve kesitsel bir çalışmadır. Araştırma verileri, 2010-2019 yılları arasında Gümüşhane İl Ambulans Servisi Başhekimliğine anaokulu, ilkokul, ortaokul, lise ve yurtlara başvuran öğrencilerin kayıtları retrospektif olarak incelenerek toplandı. Toplam 4731 ilgili tıbbi kayda ulaşıldı. Bulgular: Hastane öncesi acil sağlık hizmetlerine okul ve yurtlar tarafından yapılan acil başvuruların %53,2'si lise yurtlarından, %28,3'ü liselerden, %15,2'si ilköğretim okullarından, %3,3'ü yatılı ilköğretim bölge okullarından ve %0,1’i anaokullarından oluşmaktadır. Sonuç: Gümüşhane İl Ambulans Servisi Başhekimliğine en fazla acil başvurunun 2015 ve 2016 yılı Ekim ayında ve travmaya bağlı olgular nedeniyle yapıldığı belirlendi.
- MakaleAçık Erişim2023Vulnerability-Preventing Structures in Disaster Management: Polyurea Coating on Building Structural Elements
Kaya, Afşin Ahmet; Akduman, Öznur; Aksüt, Yavuz Selim
Numerous disasters occur due to the inability to manage risks arising from natural, technological, and human-induced hazards. As a result of these disasters, the magnification of incurred damages underscores the significance of the concept of risk management, an integral step in disaster management. Consequently, efforts to mitigate the adverse effects of earthquakes and other disasters are progressively increasing. However, endeavors aimed at reducing the damages inflicted by earthquakes and other disasters on structures, particularly earthquakes, are not yet at an adequate level. Presently, the importance of alternative solution models to counteract the forces exerted on structures during disasters like earthquakes is on the rise.In this study, unreinforced concrete blocks were coated with flexible polyurea, a state-of-the-art cladding material extensively used in various fields, at different thicknesses. Three-point bending tests were performed on the coated specimens. The data obtained from these tests were analyzed and evaluated. It was concluded that specimens coated with polyurea exhibited higher strengths compared to uncoated specimens. This study introduces the utilization of polyurea flexible composite material in structural elements as an alternative method within the spectrum of precautions taken to enhance the safety of structures against various disasters, primarily earthquakes.
- Derleme MakaleAçık Erişim2023Climate change in Türkiye and its impact on oncology nurses
Kaya, Afşin Ahmet; Aydin, Aydanur; Bağcivan, Gülcan
Climate change threatens human life and health by negatively affecting the basic components of health such as clean air, safe drinking water, nutritious food supply, and safe shelter. Türkiye is a country that is largely exposed to climate change with its cosmopolitan location, which is a bridge between Asia and Europe. Due to climate change, serious effects are seen in all sectors from energy to agriculture, from the economy to health. Climate change is defined as the most important global health threat of the next century, and the problems it brings are seen as the most important pressure factor for the life opportunities of future generations. Food and fresh water availability, rising sea levels, abnormal weather events, migration, and diseases are thought to affect human health. A multidisciplinary approach is required to adapt to climate change’s health effects and reduce its negative health effects. In addition, it is predicted that diseases that are about to disappear will re-emerge and become threats. It is thought that as a result of the contamination of food and water resources with the changing ecosystem, some infections will increase and society will face them. Nurses are both affected by climate change and its effects on public health. Nurses who remain in this situation have a great role in providing effective awareness for raising public awareness. In recent years, oncology clinics have not been affected by fire, earthquakes, and pandemics in our country. In this respect, it can be stated that the health service in Turkish oncology clinics is carried out uninterruptedly and by experts in the field. We learned during the pandemic that the whole world is unprepared for the future effects of climate change. In this direction, nurses should think about solutions for the problems related to climate change in the future.
- MakaleYalnız künye2022COVID-19 Pandemisinin Sağlık Hizmetlerinin Sürdürülebilirliğine Etkisinin İncelenmesi
Akbulut, Meryem; Kaya, Afşin Ahmet; Kıymış, İbrahim
Küreselleşmenin hayatımızı kolaylaştıran olumlu etkilerinin yanı sıra olumsuz etkileri de farklı bağlamlarda etkisini göstermiştir. Küreselleşmenin olumsuz etkilerinin son örneği, tüm dünyayı ve tüm toplumları derinden etkileyen COVID-19 pandemisi olmuştur. COVID-19 pandemisi özellikle sağlık hizmetlerini olumsuz etkilemiştir. Bu çerçevede bu çalışmanın amacı, COVID-19 pandemi sürecinin sağlık hizmetlerinin sunumuna olan etkisini değerlendirmektir. Bu araştırmanın örneklemi seçilirken amaçlı örnekleme yöntemlerinden biri olan ölçüt örnekleme kullanılmıştır. Sağlık hizmetleri sektöründe faaliyet gösteren kurum yöneticileri ile operasyonel müdahaleler, lojistik ve kaynak yönetimi, kurumlar arası koordinasyon, iş sağlığı ve güvenliği, planlama ve finansal yönetim gibi konularda açık uçlu sorulardan oluşan yarı yapılandırılmış bir form kullanılarak görüşülmüştür. Bazı yöneticiler, özellikle küçük ölçekli hastanelerin afet ve acil durumlara hazırlıklı olmadığını belirterek, planlamanın ve hazırlıklı olmanın önemine vurgu yapmıştır. Bu bilgiler ışığında, her hastanenin Hastane Afet ve Acil Durum Planlarına gereken özeni göstermeleri ve tüm personeli sürece dahil ederek gerekli hazırlıkları yapmaları şarttır. Planlama ve hazırlıklı olmanın temeli hem teorik hem de pratik olarak ele alınması gereken tatbikatlardır. Hastanelerin en olası riskleri içeren afet ve acil durum senaryoları oluşturmaları ve bu yönde tatbikatlar yapmaları gerekmektedir. Senaryonun gerçek olması durumunda beklenmedik durumlarla karşılaşmamak için gerçekçi senaryolar oluşturulmalı ve bu senaryolar tüm yönleriyle ele alınmalıdır. Tatbikatlar her yıl aynı senaryoya dayanmamalıdır. Ayrıca her yıl müdahale seviyesi artırılmalı ve mevcut kapasiteler yeniden değerlendirilmelidir.
- Derleme MakaleYalnız künye2021Küresel İklim Değişikliğinin Psikolojik Boyutu
Akbulut, Meryem; Kaya, Afşin Ahmet
İnsanoğlunun ihtiyaçları sınırsızdır. Sürekli bir tüketim ve üretim halindedir. İhtiyaçlarını karşılamak için sanayi devriminden bugüne kadar bilinçsiz bir şekilde hareket edilmiş ve doğa üzerinde telafisi imkansız hasarlara neden olunmuştur. Çevreye ve atmosfere zarar verici etkilerin giderek artmasıyla beraber ekosistemin dengesi bozulmuştur. Bir süre sonra bozulan denge insanlar için bir tehdit haline gelmiştir. Tehdidin adı ise küresel iklim değişikliğidir. Dünya üzerinde yaşayan her bireyi çeşitli şekillerde etkileyen bu felaket artık insanların sağlıkları üzerinde de olumsuz etkiler yaratmıştır. İklim krizinin sadece fiziksel değil psikolojik olarak da oluşturduğu olumsuz etki ciddi bir sorun haline gelmiştir. İklim değişikliğinin günümüzde sebep olduğu tek bir olumsuz olay şuan ki haliyle sadece o günü etkileyebilir. Ancak bireylerde bıraktığı travma uzun süre etkisi geçmeyecek bir durumdur. Ayrıca gerekli tedbirlerde geç kalınmasında yine psikolojik engeller etkilidir. Hızlı bir şekilde önlem alınmazsa iklim değişikliğinin negatif etkileri gelecek dönemlerde devam edeceği için sürekli maruziyet yaşamak toplumunda ruh sağlığını bozacaktır. Bu çalışma kapsamında küresel iklim değişikliğinin psikolojik boyutu incelenerek gerekli çıkarımlar yapılmıştır. İklim krizine karşı toplu ve hızlı şekilde tedbir almanın önemine dikkat çekilmiştir.
- MakaleYalnız künye2020Bir Afet Olarak Küresel İklim Değişikliği ve İlkokul Öğretmenlerinin İklim Değişikliği Farkındalığının İncelenmesi: Gümüşhane İli Örneği
Akbulut, Meryem; Kaya, Afşin Ahmet
Küresel iklim değişikliğinin afet olarak önemi vegünümüzdeki en önemli çevre sorunlarından biriolması, bizi küresel iklim değişikliğiyle ilgili bilimekatkı sağlayacak bir çalışma yapmaya yöneltmiştir.Araştırma kapsamında öncelikle afetlere, ardındanküresel iklim değişikliğiyle ilgili genel bir literatüraraştırmasına yer verilmiştir. Araştırma kapsamındailkokul öğretmenlerinin iklim değişikliği farkındalığınıölçmek için, inanç, tutum, davranış ve bilgi altboyutlarından oluşan bir farkındalık ölçeğikullanılmıştır. Araştırmanın evrenini Gümüşhaneilinde görev yapan toplamda 300 ilkokul öğretmenioluşturmaktadır. Veri toplama sürecinin sonunda 214ilkokul öğretmenine ulaşılmıştır. Çalışmanın verileriAmos 23 ve SPSS 21 paket programlarında analizedilmiştir. Ortaya çıkan sonuçlar Gümüşhane ilindegörev yapan ilkokul öğretmenlerinin iklim değişikliğifarkındalıklarının yüksek olduğunu göstermektedir. Budurum araştırmanın amaçlarından olan iklimdeğişikliği farkındalığı yüksek bireyler yetişmesiaçısından önem arz etmektedir. Son olarak tartışma,öneri ve sonuç başlıklarıyla genel bir değerlendirmeyapılmıştır ve küresel iklim değişiklinin öneminedikkat çekilmiştir.
- MakaleYalnız künye2020The Level of Perception of Hospital Personnel on Waste Management and Waste Management in disasters: Case of Gümüşhane Province
Kaya, Afşin Ahmet; Küçük, Ümran Aysen
The main objectives of disaster management are; to analyze the dangers faced by the society, to predict the situations that may be damaged by the event that may arise, to develop and implement strategies that will not allow secondary disasters. After disasters occur, different types of waste are generated depending on the type of disaster. If disaster waste is unmanageable, it can cause a secondary disaster. Hospitals, on the other hand, are health institutions that provide active service during disasters. Naturally, it is inevitable for hospitals to generate more waste in case of disasters. For this reason, hospitals should also have a waste management strategy for a possible disaster situation. Waste management, on the other hand, can be efficient with the employees' attitude, awareness and perception of waste. Within the scope of the research, a questionnaire was applied to the hospital staff. The questionnaire consists of three parts. The first part includes sociodemographic questions. The second part consists of Waste Management Awareness questions and Waste Management Awareness in Disasters questions. In the third part, there are Waste Management Attitude questions. The data of the study were analyzed with the SPSS 21 package program. It was determined that the awareness level of the participants was high, and their attitude level was medium. There is no significant difference in the mean score of the awareness level of the participants in terms of gender and age factors. Significant results were found in factors such as working time and education level.
- Kitap BölümüYalnız künye2020Investigation of the Effects of the Disasters Occurred between 2010 and 2017 on the World Economy
Turan, Melikşah; Oral, Vildan; Kaya, Afşin Ahmet
- MakaleYalnız künye2019Safe Hospitals and Rating in Disasters: Case of Gümüşhane Province
Kaya, Afşin Ahmet; Kıymış, İbrahim
Buildings, facilities, systems, critical services and people are greatly affected during disasters. When disasters occur, health facilities such as hospitals should be able to protect the life and welfare of the community. Therefore, there is a need for safe hospitals that do not collapse in disasters and continue to serve. The purpose of this study, which is required due to the existing shortcomings, is to determine the security levels of the state hospitals in Gümüşhane against disasters and to reveal the current status of hospitals. This study is descriptive. In the study, Safe Hospital section in the last section of 6 HAPs of Gümüşhane Province was investigated in 2018. The data of the study was collected by using the Safe Hospital Checklist which is composed of the dangers affecting hospital security, structural safety, non-structural safety and emergency and disaster management modules developed in the guide book Safe Hospital Safety Index: Guide for Evaluators Checklist published by WHO in 2015. Within the framework of current requirements, a total of 30 questions were included in the checklist, including 20 questions on CBRN-E (Chemical, Biological, Radiological, NuclearExolosive) and 10 questions on sensitive groups, referring to expert opinions. A total of 181 questions were examined along with the questions on the Safe Hospital Checklist.
- MakaleYalnız künye2019Investigation of Inhibition Effect of Nitro Group Containing Substances on Glutathione Reductase Enzyme
Şentürk, Murat; Kaya, Elif Çelenk; Kaya, Afşin Ahmet
Glutathione reductase (Glutathione: NADP+ oxidoreductase, EC 1.8.1.7; GR) catalyzes electron transfer between reduced (GSH) or high molecular weight (GSSG) disulfide substrates and reduced pyridine nucleotides (NADPH). Discovery of glutathione reductase (GR) inhibitors has become very popular recently due to antimalarial and anticancer activities. Enzymatic activity was measured by Beutler’s method with a Spectrophotometer, at 25°C. The assay system contained 100 mM Tris-HCl buffer pH 8.0, including 0.5 mM EDTA, 3.3 mM GSSG and 0.1 mM NADPH. Inhibition effects of Nitrobenzene (1), 3,5- Dinitrosalicylic acid (2), (2,4-Dinitrophenyl)((4-(prop1-en-2-yl)cyclohex-1-enyl)-methyl)sulfane (3), ((7,7- dimethylbicyclo[2.2.1]heptan-1-yl)methyl)-(2,4- dinitrophenyl)sulfane (4), and ((2-Chloro-7,7- dimethylbicyclo[2.2.1]heptan-1-yl)methyl)-(2,4- dinitrophenyl)sulfane (5) compounds on GR have been investigated in vitro. IC50 values were determined by drawing % activity- [I] graphs for compounds showing inhibition effects. IC50 values of GR for these substances were observed to be at micromolar level.
- Kitap BölümüYalnız künye2019Investigation of the effects of the disasters occurred between 2010 and 2017 on the world economy
Turan, Melikşah; Oral, Vildan; Kaya, Afşin Ahmet
Introduction Disasters cause losses in various dimensions throughout the world. They lead to social, psychological, political and cultural changes as well as economic burdens for countries. People have been facing disasters since the beginning of human history. Information about disasters occurring in different parts of the world has been found in the oldest known records. Thousands of people have lost their lives in these disasters. (Akgiray et al., 2004: 77). Natural disasters cause significant economic losses and the loss of life for countries (Erkal and Degerliyurt, 2009). According to the statistics in Turkey, natural disasters result in economic losses equal to 1.1 % of Gross National Product each year (Aktürk and Albeni, 2002). However, considering indirect economic losses such as loss of production and unemployment, total loss is estimated to be greater than 1 % of gross national product (Erkal and Degerliyurt, 2009). It is possible to estimate the economic effects of the disasters by considering factors which are affected by the disasters. When the 1999 Marmara Earthquakes in Turkey is evaluated in terms of both loss of income and loss of national wealth, the total estimated cost is between 9 million dollars and 13 billion dollars according to the State Planning Organization of Turkey and 6-10 billion dollars according to the World Bank (Akgiray et al., 2004: 77). Estimations about the economic effects of the 1999 Marmara Earthquakes suggest the following figures: the reconstruction of damaged buildings is estimated….
- MakaleYalnız künye2018Evaluation of Institutional Preparations for Disaster and Emergency Situation in Small Enterprises; Sample of Gümüşhane
Turan, Melikşah; Oral, Vildan; Kaya, Afşin Ahmet
The ability of small businesses to survive with disasters and reduce the impact of disasters is determined by disaster preparedness and their knowledge and awareness. The purpose of this study is to assess the preparations of small businesses for disasters and emergencies. The research was carried out on the owners, managers and staff of the small business in Gümüşhane. The research group was composed of 270 small businesses staff that agreed to participate in the survey. Survey form which consists of two parts was applied as data collection form in the survey. The first part consists of questions prepared to obtain demographic information; the second part comes from the questions prepared to evaluate your emergency preparedness. Data were evaluated by chisquare and t-test. 86.3% of the participants rated the installation as less dangerous, 8.9% as dangerous and 4.8% as very dangerous. The average score of the participants was 2.46 ± 2.68 out of 10. The average score of participants was very low. There is a statistically significant difference between the tasks of the participants in the operation and the knowledge score. It is seen that the information scores of the business owners are lower than the managers and staffs. It is observed that business with high preliminary knowledge points have more space in the operation of disaster plan requirements and practice. The level of knowledge score increased as the level of preparation increased. There is a need to increase disaster information levels in order to increase the resistance of small businesses to disasters.
- Derleme MakaleYalnız künye2018Türkiye’deki Suriyeli Misafirler ve İlişkilendirilen Bulaşıcı Hastalıklar
Turan, Melikşah; Sezen, İrem; Kaya, Afşin Ahmet
Türkiye son 7 yılda Suriye’den gelen yoğun bir göç dalgasına maruz kalmakta, insani amaçla sınırlarını açarak barınma, sağlık, güvenlik, beslenme, eğitim, sosyal alanlarda hizmet sağlamaktadır. Sınır dışı edilme korkusuyla yasa dışı yollarla ülkeye girerek varlıklarını bildirmeyen bireylerin, sağlık durumlarının belirsizliği ve hayat standartlarının düşük olması büyük tehlike oluşturmaktadır. Sağlık problemleri göçün oluşturduğu olumsuz yaşam koşulları ile birlikte yoğun bir tehdit oluşturmaktadır. Çalışmamızda Türkiye’deki Suriyeli misafirler ve ilişkilendirilen bulaşıcı hastalıklar ile ilgili bilgi vermek ve önerilerde bulunmak amaçlanmaktadır. Çalışma kapsamında Suriyeli misafirler ve bulaşıcı hastalıklara yönelik raporlar ve yayınlar incelenmiştir. Rapor ve yayın sonuçları çalışmamız çerçevesinde derlenerek öneriler oluşturulmuştur. 2012-2017 yılları arasında yapılan raporlamalara göre çocuk felci (polio), kızamık, tüberküloz, şark çıbanı (leishmania) gibi hastalıkların ortaya çıkma sıklığı düzensiz olarak değişmiştir. Çalışma sonucunda giriş noktalarında ve yaşam alanlarında sağlık ve diğer hizmetlerin cevap verebilirliğini artırmak için ‘Göç öncesinde; Kendi ülkesindeki bulaşıcı hastalıklar, Göç sırasında; Kendi ülkesi, Geçilen ülkelerdeki bulaşıcı hastalıklar, Göç Sonrasında; Kendi ülkesi, Geçilen ülkelerdeki, konuk ülkedeki bulaşıcı hastalıklar’ stratejik ve eylem planlarının hazırlanmasının sağlanması, tarama, aşılama, eğitim (hijyen-bulaş), vektörlerle mücadele ve erken müdahale enfeksiyonlarla mücadele paketinde yer alması, bulaşıcı hastalık açısından risk oluşturabilecek kesimin belirlenerek takip ve tedavi altına alınması, sınıra yakın bölgelerde bağışıklama ile ilgili kampanyaların oluşturulması önerilmektedir.
- MakaleAçık Erişim2017Synthesis, spectroscopic characterization, X-ray structure and DFT calculations of Ni(II)bis(3,4 dimethoxybenzoate)bis(nicotinamide) dihydrate
Kaya, Elif Çelenk; Kaya, Afşin Ahmet; Demircioǧlu, Zeynep; Büyükgüngör, Orhan
A single crystal of Ni(II)bis(3,4 dimethoxybenzoate)bis(nicotinamide) dihydrate, formulated as C30H34N4NiO12 (I), was characterized in the solid state by infra-red (IR), ultra-violet (UV) and single crystal X-ray diffraction analysis at 296 K as mononuclear with a distorted octahedral stereochemistry. The complex consists of a six-coordinate Nickel atom in a distorted octahedral environment constructed from two N atoms and four O atoms and crystallizes in the monoclinic space group C 2/c with a=27.7680(16) Å, b=8.5748(3) Å, c=17.8018(9) Å, α=90°, β=108.154(4)°, γ=90°, Z=4. The molecular structure and geometry was also optimized using the B3LYP density functional theory method employing the 6-31G(d) basis set. The molecular electrostatic potential (MEP), frontier molecular orbitals (FMO) analysis, nonlinear optical properties (NLO) and natural bond analysis (NBO), Mulliken population analyis, natural population analysis (NPA) and Fukui function analysis were also described.
- MakaleYalnız künye2015Synthesis, X-Ray Structural, Characterization, NLO, MEP, NBO, and HOMO-LUMO Analysis Using DFT Study of Co(II)bis(3,4 dimethoxybenzoate)bis(nicotinamide) Dihydrate
Kaya, Elif Çelenk; Demircioʇlu, Zeynep; Kaya, Afşin Ahmet; Büyükgüngör, Orhan
A suitable single crystal of Co(II)bis(3,4 dimethoxybenzoate)bis(nicotinamide) dihydrate, formulated as C30H38N4O14Co,(I). According to experimental data, the complex can be characterized in the solid state as mononuclear, with a distorted octahedral stereochemistry. The distorted octahedral stereochemistry adopted by the complex was further confirmed by the x-ray structure analysis of current study, which consists of a six-coordinate Co atom in a distorted octahedral environment constructed from two N atoms and four O atoms. The title compound which has been characterized by IR, UV, and single crystal X-ray diffraction analysis at 296 K crystallizes in the monoclinic space group C 2/c with a = 27.9402(15) Å, b = 8.6005(3)Å, c = 14.7921(9)Å, α = 90°, β = 108.849(4)°, and γ = 90°, Z = 4. The molecular structure and geometry have also been optimized using B3LYP density functional theory method employing the 6-31G (d) basis set. The molecular electrostatic potential (MEP), frontier molecular orbitals (FMO) analysis, nonlinear optical properties (NLO), and natural bond analysis (NBO) for the title molecule are also described from the computational process.
- MakaleYayıncıda açık erişim2014Synthesis, X-ray structural characterization, NLO, MEP, NBO and HOMO-LUMO analysis using DFT study of Zn(II)bis(3,4 dimethoxybenzoate)bis(nicotinamide) dihydrate
Kaya, Afşin Ahmet; Demircioǧlu, Zeynep; Kaya, Elif Çelenk; Büyükgüngör, Orhan
A single crystal of Zn(II)bis(3,4 dimethoxybenzoate)bis(nicotinamide) dihydrate, formulated as C30H38N4O 14Zn, (I) has been obtained. According to experimental data, the complex can be characterized in the solid state as mononuclear, with a distorted octahedral stereochemistry. The distorted octahedral stereochemistry adopted by the complex was further confirmed by X-ray structure analysis of the current study, which consists of a six-coordinate Zn atom in a distorted octahedral environment constructed from two N atoms and four O atoms. The title compound crystallizes in the monoclinic space group C 2/c with a = 27.9248(18) Å, b = 8.5941(4) Å, c = 14.8344(11) Å, α = 90°, β = 108.651(5), γ = 90°, Z = 4. The molecular structure and geometry were also optimized using the B3LYP density functional theory method employing the 6-31G (d) basis set. Molecular electrostatic potential, frontier molecular orbital analysis, nonlinear optical properties and natural bond analysis for the title molecule are also described from the computational process.
- MakaleYalnız künye2014Synthesis of cyclohexane derivatives including Br, Cl, N, O, and S at 1,2,4,5-positions: Selectivity in addition reactions Dedicated to Professor Dr. Metin Balci on the occasion of his 65th anniversary
Kaya, Afşin Ahmet; Menzek, Abdullah; Şahin, Ertan
Brominations of mono addition products of 1,4-cyclohexadiene with 2,4-dinitrobenzenesulfenyl chloride (RSCl) selectively gave 1R(S),2R(S),4R(S), 5R(S)-4,5-dibromo-2-(2,4-dinitrophenylthio)cyclohexyl acetate and 1R(S),2R(S),4R(S),5R(S)-4,5-dibromo-2-chlorocyclohexyl)(2,4-dinitrophenylthio) sulfane. From series reactions 7-oxabicyclo[4.1.0]hept-3-ene with reagents, such as RSCl, NaN3, and H2SO4/Ac2O, six 1,2,4,5-tetrasubstituted cyclohexane derivatives including S, O, N, Cl, and Br were selectively obtained. Formations and structures of the products were discussed.
- MakaleYalnız künye2012Synthesis and characterisation of new metallophthalocyanines containing four 12-membered diazadithia-macrocyclic moieties
Kaya, Elif Çelenk; Kantekin, Halit; Kaya, Afşin Ahmet; Dakoǧlu, Asuman; Öksüz, Sümeyra; Şişik, Hanife
Tetrasubstituted zinc, cobalt, nickel, copper and lead phthalocyanines bearing four 12-membered diazadithia macrocyclic moieties on peripheral positions have been synthesised by cyclotetramerisation reaction of 1,10-ditosyl-1,2,3,5,6,8,9,10-octahydrobenzo[h][1,4,7,10] dithiadiazacyclododecine-12,13-dicarbonitrile and corresponding anhydrous metal salts under microwave irradiation. The thermal stabilities of the phthalocyanine compounds have determined by thermogravimetric analysis.
- MakaleAçık Erişim20114-[2-(Cyclohexa-1,4-dien-1-yl)ethoxy]-benzene-1,2-dicarbonitrile
Keleşoǧlu, Zeynep; Çelenk Kaya, Elif; Kaya, Afşin Ahmet; Kantekin, Halit; Büyükgüngör, Orhan
In the title compound, C16H14N2O, the dihedral angle between the aromatic rings is 70.23 (6)°. The linking chain has a zigzag conformation. In the crystal, molecules are linked by weak inter-molecular C - H⋯N hydrogen bonds, forming a zigzag chain along the c axis.